N-(5-chloro-2-pyridinyl)-1-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperidine-4-carboxamide

C23H25ClFN3O2 — CID 55993190

IUPACN-(5-chloro-2-pyridinyl)-1-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)C2(c3cccc(F)c3)CCCC2)CC1
InChIInChI=1S/C23H25ClFN3O2/c24-18-6-7-20(26-15-18)27-21(29)16-8-12-28(13-9-16)22(30)23(10-1-2-11-23)17-4-3-5-19(25)14-17/h3-7,14-16H,1-2,8-13H2,(H,26,27,29)
InChIKeyLYBDHCGENPCBNA-UHFFFAOYSA-N
MW429.92 g/mol
LogP4.56
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-1-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperidine-4-carboxamide

N-(5-chloro-2-pyridinyl)-1-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperidine-4-carboxamide (PubChem CID 55993190) has the molecular formula C23H25ClFN3O2 and a molecular weight of 429.92 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperidine-4-carboxamide
PubChem CID55993190
Molecular FormulaC23H25ClFN3O2
Molecular Weight429.92 g/mol
Exact Mass429.16
IUPAC NameN-(5-chloro-2-pyridinyl)-1-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)C2(c3cccc(F)c3)CCCC2)CC1
InChIInChI=1S/C23H25ClFN3O2/c24-18-6-7-20(26-15-18)27-21(29)16-8-12-28(13-9-16)22(30)23(10-1-2-11-23)17-4-3-5-19(25)14-17/h3-7,14-16H,1-2,8-13H2,(H,26,27,29)
InChIKeyLYBDHCGENPCBNA-UHFFFAOYSA-N
XLogP4.56
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.92
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-fluorophenyl)cyclobutanecarbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55810106
N-(5-chloro-2-pyridinyl)-1-(4-fluoro-2-iodobenzoyl)piperidine-4-carboxamide
CID 55925189
[1-(3-fluorophenyl)cyclobutyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 71938226
4-N-(5-chloro-2-pyridinyl)-1-N-(2-fluorophenyl)piperidine-1,4-dicarboxamide
CID 47065712
1-[1-(4-bromophenyl)cyclopentanecarbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55810021
N-(1-ethylpyrazol-4-yl)-1-[4-(3-fluorophenyl)oxane-4-carbonyl]piperidine-4-carboxamide
CID 86973542
[1-(3-fluorophenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone
CID 112759609
[1-(3-fluorophenyl)cyclopentyl]-morpholin-4-ylmethanone
CID 112762933
4-N-(5-chloro-2-pyridinyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 51180162
1-(3-aminopropanoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119856586
N-(5-chloro-2-pyridinyl)-1-[2-(4-fluorobenzoyl)benzoyl]piperidine-4-carboxamide
CID 55924923
[1-(3-fluorophenyl)cyclobutyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119542873

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperidine-4-carboxamide (CID 55993190) is N-(5-chloro-2-pyridinyl)-1-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperidine-4-carboxamide is O=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)C2(c3cccc(F)c3)CCCC2)CC1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperidine-4-carboxamide?
The InChIKey is LYBDHCGENPCBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClFN3O2/c24-18-6-7-20(26-15-18)27-21(29)16-8-12-28(13-9-16)22(30)23(10-1-2-11-23)17-4-3-5-19(25)14-17/h3-7,14-16H,1-2,8-13H2,(H,26,27,29).
What are the key properties of N-(5-chloro-2-pyridinyl)-1-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperidine-4-carboxamide?
N-(5-chloro-2-pyridinyl)-1-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperidine-4-carboxamide has a molecular weight of 429.92 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-1-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 55993190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).